BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-hydroxy-3-methoxybenzyl Alcohol

Graphical representations:

4-hydroxy-3-methoxybenzyl alcohol image

Molecular Formula: C8 H10 O3

Natural Isotopic Abundance Mass: 154.1632

Mono-Isotopic Molecular Masses:

  • C12N14: 154.0629941873
  • C13N14: 162.0898328897
  • C12N15: 154.0629941873
  • C13N15: 162.0898328897

InCHi String: InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3

canonical and isomeric SMILES: COC1=C(C=CC(=C1)CO)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-(hydroxymethyl)-2-methoxyphenol

PUBCHEM iupac TRADITIONAL NAME
2-methoxy-4-methylol-phenol

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-(hydroxymethyl)-2-methoxy-phenol

PubChem Substance (SID):   85165233   12039109   5569743
PubChem Compound (CID):   62348
KEGG: Compound ID   C06317
CAS Registry IDs:   498-00-0
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 55570_FLUKA   ChEBI CHEBI:18353   ChemIDplus 000498000   ChemSpider 56139   EINECS 207-852-4   CambridgeSoft Corporation 10088   ZINC ZINC00164388   UM-BBD c0588   ChemDB 4734582   NIST Chemistry WebBook 869742710

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.